2-(2,5-dimethylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanone

C9H10N4OS — CID 105108396

IUPAC2-(2,5-dimethylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanone
SMILESCc1cc(CC(=O)c2cnns2)n(C)n1
InChIInChI=1S/C9H10N4OS/c1-6-3-7(13(2)11-6)4-8(14)9-5-10-12-15-9/h3,5H,4H2,1-2H3
InChIKeyQJLZRNRTKRKBCD-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.01
Rot. Bonds3

About 2-(2,5-dimethylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanone

2-(2,5-dimethylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanone (PubChem CID 105108396) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanone
PubChem CID105108396
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanone
SMILESCc1cc(CC(=O)c2cnns2)n(C)n1
InChIInChI=1S/C9H10N4OS/c1-6-3-7(13(2)11-6)4-8(14)9-5-10-12-15-9/h3,5H,4H2,1-2H3
InChIKeyQJLZRNRTKRKBCD-UHFFFAOYSA-N
XLogP1.01
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105108355
2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanone
CID 114978839
2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide
CID 167145716
1-(2-tert-butylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114979035
1-(3-bromo-4-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 113336903
1-(4-amino-3,5-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 116609859
1-(2,4-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114978939
1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 79078418
1-(2,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114978828
2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274086
1-(2-chloro-3-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114978978
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)ethanone
CID 114978856

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanone?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanone (CID 105108396) is 2-(2,5-dimethylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanone is Cc1cc(CC(=O)c2cnns2)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanone?
The InChIKey is QJLZRNRTKRKBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-6-3-7(13(2)11-6)4-8(14)9-5-10-12-15-9/h3,5H,4H2,1-2H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanone?
2-(2,5-dimethylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanone has a molecular weight of 222.27 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanone is sourced from PubChem (CID 105108396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).